Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50236279'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of bet...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50236279 (CHEMBL4093241) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C25H34F13N3O5S/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)9-8-14(42)39-10-6-4-2-1-3-5-7-11-40-19(47)41-13-12-46-18(41)17(45)16(44)15(13)43/h13,15-18,43-45H,1-12H2,(H,39,42)(H,40,47)/t13-,15-,16+,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence sp...				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair